# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = PdTa2Zr # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.228648122e+02 4.228648122e+02 1.30 3.935148394e+02 3.935148394e+02 1.32 3.662862343e+02 3.662862343e+02 1.34 3.410149630e+02 3.410149630e+02 1.36 3.175466303e+02 3.175466303e+02 1.38 2.957361062e+02 2.957361062e+02 1.40 2.754486319e+02 2.754486319e+02 1.42 2.565614046e+02 2.565614046e+02 1.44 2.389641616e+02 2.389641616e+02 1.46 2.225584110e+02 2.225584110e+02 1.48 2.072558839e+02 2.072558839e+02 1.50 1.929768948e+02 1.929768948e+02 1.52 1.796488050e+02 1.796488050e+02 1.54 1.672046971e+02 1.672046971e+02 1.56 1.555822667e+02 1.555822667e+02 1.58 1.447232201e+02 1.447232201e+02 1.60 1.345732114e+02 1.345732114e+02 1.62 1.250820860e+02 1.250820860e+02 1.64 1.162040615e+02 1.162040615e+02 1.66 1.078976015e+02 1.078976015e+02 1.68 1.001249752e+02 1.001249752e+02 1.70 9.285155559e+01 9.285155559e+01 1.72 8.604512114e+01 8.604512114e+01 1.74 7.967530235e+01 7.967530235e+01 1.76 7.371327183e+01 7.371327183e+01 1.78 6.813165301e+01 6.813165301e+01 1.80 6.290454503e+01 6.290454503e+01 1.82 5.800758061e+01 5.800758061e+01 1.84 5.341793866e+01 5.341793866e+01 1.86 4.911436048e+01 4.911436048e+01 1.88 4.507715736e+01 4.507715736e+01 1.90 4.128828692e+01 4.128828692e+01 1.92 3.773140602e+01 3.773140602e+01 1.94 3.439188669e+01 3.439188669e+01 1.96 3.125725834e+01 3.125725834e+01 1.98 2.832256685e+01 2.832256685e+01 2.00 2.557876076e+01 2.557876076e+01 2.02 2.302033645e+01 2.302033645e+01 2.04 2.064732403e+01 2.064732403e+01 2.06 1.844812323e+01 1.844812323e+01 2.08 1.641097277e+01 1.641097277e+01 2.10 1.452447801e+01 1.452447801e+01 2.12 1.277777396e+01 1.277777396e+01 2.14 1.116065587e+01 1.116065587e+01 2.16 9.663669593e+00 9.663669593e+00 2.18 8.278138402e+00 8.278138402e+00 2.20 6.996142192e+00 6.996142192e+00 2.22 5.810443828e+00 5.810443828e+00 2.24 4.714401153e+00 4.714401153e+00 2.26 3.701876627e+00 3.701876627e+00 2.28 2.767162696e+00 2.767162696e+00 2.30 1.904908938e+00 1.904908938e+00 2.32 1.110066064e+00 1.110066064e+00 2.34 3.778557773e-01 3.778557773e-01 2.36 -2.962551062e-01 -2.962551062e-01 2.38 -9.165485311e-01 -9.165485311e-01 2.40 -1.487036234e+00 -1.487036234e+00 2.42 -2.011443074e+00 -2.011443074e+00 2.44 -2.493195564e+00 -2.493195564e+00 2.46 -2.935435489e+00 -2.935435489e+00 2.48 -3.341043554e+00 -3.341043554e+00 2.50 -3.712667575e+00 -3.712667575e+00 2.52 -4.052744148e+00 -4.052744148e+00 2.54 -4.363509796e+00 -4.363509796e+00 2.56 -4.647005154e+00 -4.647005154e+00 2.58 -4.905079966e+00 -4.905079966e+00 2.60 -5.139405097e+00 -5.139405097e+00 2.62 -5.351490969e+00 -5.351490969e+00 2.64 -5.542719630e+00 -5.542719630e+00 2.66 -5.714356966e+00 -5.714356966e+00 2.68 -5.867580862e+00 -5.867580862e+00 2.70 -6.003492486e+00 -6.003492486e+00 2.72 -6.123055238e+00 -6.123055238e+00 2.74 -6.227140156e+00 -6.227140156e+00 2.76 -6.316787528e+00 -6.316787528e+00 2.78 -6.392963775e+00 -6.392963775e+00 2.80 -6.456563883e+00 -6.456563883e+00 2.82 -6.508457292e+00 -6.508457292e+00 2.84 -6.549378687e+00 -6.549378687e+00 2.86 -6.579988338e+00 -6.579988338e+00 2.88 -6.600918944e+00 -6.600918944e+00 2.90 -6.612753348e+00 -6.612753348e+00 2.92 -6.615820519e+00 -6.615820519e+00 2.94 -6.610364027e+00 -6.610364027e+00 2.96 -6.596669090e+00 -6.596669090e+00 2.98 -6.575047624e+00 -6.575047624e+00 3.00 -6.545765642e+00 -6.545765642e+00 3.02 -6.509029718e+00 -6.509029718e+00 3.04 -6.465056236e+00 -6.465056236e+00 3.06 -6.414073389e+00 -6.414073389e+00 3.08 -6.356304543e+00 -6.356304543e+00 3.10 -6.291973679e+00 -6.291973679e+00 3.12 -6.221364298e+00 -6.221364298e+00 3.14 -6.144949955e+00 -6.144949955e+00 3.16 -6.062879159e+00 -6.062879159e+00 3.18 -5.975304102e+00 -5.975304102e+00 3.20 -5.882429907e+00 -5.882429907e+00 3.22 -5.784523387e+00 -5.784523387e+00 3.24 -5.681921207e+00 -5.681921207e+00 3.26 -5.575035247e+00 -5.575035247e+00 3.28 -5.464352530e+00 -5.464352530e+00 3.30 -5.350428556e+00 -5.350428556e+00 3.32 -5.233890149e+00 -5.233890149e+00 3.34 -5.115403718e+00 -5.115403718e+00 3.36 -4.995623348e+00 -4.995623348e+00 3.38 -4.875159194e+00 -4.875159194e+00 3.40 -4.754549508e+00 -4.754549508e+00 3.42 -4.634243908e+00 -4.634243908e+00 3.44 -4.514587935e+00 -4.514587935e+00 3.46 -4.395824962e+00 -4.395824962e+00 3.48 -4.278101217e+00 -4.278101217e+00 3.50 -4.161477060e+00 -4.161477060e+00 3.52 -4.045941491e+00 -4.045941491e+00 3.54 -3.931428136e+00 -3.931428136e+00 3.56 -3.817831531e+00 -3.817831531e+00 3.58 -3.705022930e+00 -3.705022930e+00 3.60 -3.592865296e+00 -3.592865296e+00 3.62 -3.481227303e+00 -3.481227303e+00 3.64 -3.369996337e+00 -3.369996337e+00 3.66 -3.259090438e+00 -3.259090438e+00 3.68 -3.148469041e+00 -3.148469041e+00 3.70 -3.038142233e+00 -3.038142233e+00 3.72 -2.928178080e+00 -2.928178080e+00 3.74 -2.818707429e+00 -2.818707429e+00 3.76 -2.709925567e+00 -2.709925567e+00 3.78 -2.602090112e+00 -2.602090112e+00 3.80 -2.495514724e+00 -2.495514724e+00 3.82 -2.390558505e+00 -2.390558505e+00 3.84 -2.287611368e+00 -2.287611368e+00 3.86 -2.187076188e+00 -2.187076188e+00 3.88 -2.089349011e+00 -2.089349011e+00 3.90 -1.994799018e+00 -1.994799018e+00 3.92 -1.903748850e+00 -1.903748850e+00 3.94 -1.816465309e+00 -1.816465309e+00 3.96 -1.733140578e+00 -1.733140578e+00 3.98 -1.653894071e+00 -1.653894071e+00 4.00 -1.578771934e+00 -1.578771934e+00 4.02 -1.507752941e+00 -1.507752941e+00 4.04 -1.440757817e+00 -1.440757817e+00 4.06 -1.377660486e+00 -1.377660486e+00 4.08 -1.318299820e+00 -1.318299820e+00 4.10 -1.262485290e+00 -1.262485290e+00 4.12 -1.210029427e+00 -1.210029427e+00 4.14 -1.160719609e+00 -1.160719609e+00 4.16 -1.114349310e+00 -1.114349310e+00 4.18 -1.070715474e+00 -1.070715474e+00 4.20 -1.029621231e+00 -1.029621231e+00 4.22 -9.908775529e-01 -9.908775529e-01 4.24 -9.543042331e-01 -9.543042331e-01 4.26 -9.197304387e-01 -9.197304387e-01 4.28 -8.869950458e-01 -8.869950458e-01 4.30 -8.559468459e-01 -8.559468459e-01 4.32 -8.264446639e-01 -8.264446639e-01 4.34 -7.983573843e-01 -7.983573843e-01 4.36 -7.715638735e-01 -7.715638735e-01 4.38 -7.459527869e-01 -7.459527869e-01 4.40 -7.214222652e-01 -7.214222652e-01 4.42 -6.978795347e-01 -6.978795347e-01 4.44 -6.752404415e-01 -6.752404415e-01 4.46 -6.534289520e-01 -6.534289520e-01 4.48 -6.323766302e-01 -6.323766302e-01 4.50 -6.120219631e-01 -6.120219631e-01 4.52 -5.923105835e-01 -5.923105835e-01 4.54 -5.731945224e-01 -5.731945224e-01 4.56 -5.546318492e-01 -5.546318492e-01 4.58 -5.365865214e-01 -5.365865214e-01 4.60 -5.190282711e-01 -5.190282711e-01 4.62 -5.019325061e-01 -5.019325061e-01 4.64 -4.852801975e-01 -4.852801975e-01 4.66 -4.690577111e-01 -4.690577111e-01 4.68 -4.532565393e-01 -4.532565393e-01 4.70 -4.378728945e-01 -4.378728945e-01 4.72 -4.229071328e-01 -4.229071328e-01 4.74 -4.083629970e-01 -4.083629970e-01 4.76 -3.942466932e-01 -3.942466932e-01 4.78 -3.805658381e-01 -3.805658381e-01 4.80 -3.673251653e-01 -3.673251653e-01 4.82 -3.545386770e-01 -3.545386770e-01 4.84 -3.422078607e-01 -3.422078607e-01 4.86 -3.303354127e-01 -3.303354127e-01 4.88 -3.189208244e-01 -3.189208244e-01 4.90 -3.079600720e-01 -3.079600720e-01 4.92 -2.974455732e-01 -2.974455732e-01 4.94 -2.873663821e-01 -2.873663821e-01 4.96 -2.777085731e-01 -2.777085731e-01 4.98 -2.684557542e-01 -2.684557542e-01 5.00 -2.595896463e-01 -2.595896463e-01 5.02 -2.510906748e-01 -2.510906748e-01 5.04 -2.429385291e-01 -2.429385291e-01 5.06 -2.351126605e-01 -2.351126605e-01 5.08 -2.275927000e-01 -2.275927000e-01 5.10 -2.203587937e-01 -2.203587937e-01 5.12 -2.133918555e-01 -2.133918555e-01 5.14 -2.066737496e-01 -2.066737496e-01 5.16 -2.001874131e-01 -2.001874131e-01 5.18 -1.939169338e-01 -1.939169338e-01 5.20 -1.878475957e-01 -1.878475957e-01 5.22 -1.819659038e-01 -1.819659038e-01 5.24 -1.762595992e-01 -1.762595992e-01 5.26 -1.707176696e-01 -1.707176696e-01 5.28 -1.653303607e-01 -1.653303607e-01 5.30 -1.600891879e-01 -1.600891879e-01 5.32 -1.549869483e-01 -1.549869483e-01 5.34 -1.500177254e-01 -1.500177254e-01 5.36 -1.451768802e-01 -1.451768802e-01 5.38 -1.404610184e-01 -1.404610184e-01 5.40 -1.358679279e-01 -1.358679279e-01 5.42 -1.313964740e-01 -1.313964740e-01 5.44 -1.270464498e-01 -1.270464498e-01 5.46 -1.228183800e-01 -1.228183800e-01 5.48 -1.187132882e-01 -1.187132882e-01 5.50 -1.147324323e-01 -1.147324323e-01 5.52 -1.108770289e-01 -1.108770289e-01 5.54 -1.071479891e-01 -1.071479891e-01 5.56 -1.035456838e-01 -1.035456838e-01 5.58 -1.000697590e-01 -1.000697590e-01 5.60 -9.671895737e-02 -9.671895737e-02 5.62 -9.349113630e-02 -9.349113630e-02 5.64 -9.038332541e-02 -9.038332541e-02 5.66 -8.739169099e-02 -8.739169099e-02 5.68 -8.451164072e-02 -8.451164072e-02 5.70 -8.173795592e-02 -8.173795592e-02 5.72 -7.906493606e-02 -7.906493606e-02 5.74 -7.648654265e-02 -7.648654265e-02 5.76 -7.399653270e-02 -7.399653270e-02 5.78 -7.158857534e-02 -7.158857534e-02 5.80 -6.925634849e-02 -6.925634849e-02 5.82 -6.699361517e-02 -6.699361517e-02 5.84 -6.479428077e-02 -6.479428077e-02 5.86 -6.265243448e-02 -6.265243448e-02 5.88 -6.056237816e-02 -6.056237816e-02 5.90 -5.851864675e-02 -5.851864675e-02 5.92 -5.651602396e-02 -5.651602396e-02 5.94 -5.454955682e-02 -5.454955682e-02 5.96 -5.261457238e-02 -5.261457238e-02 5.98 -5.070669917e-02 -5.070669917e-02 6.00 -4.882189421e-02 -4.882189421e-02